methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate

C14H13FN2O4 — CID 154942266

IUPACmethyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1ncn(Cc2ccc(OC)cc2)c(=O)c1F
InChIInChI=1S/C14H13FN2O4/c1-20-10-5-3-9(4-6-10)7-17-8-16-12(14(19)21-2)11(15)13(17)18/h3-6,8H,7H2,1-2H3
InChIKeyMKDMIOIIXNZJOX-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.23
Rot. Bonds4

About methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate

methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate (PubChem CID 154942266) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
PubChem CID154942266
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namemethyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1ncn(Cc2ccc(OC)cc2)c(=O)c1F
InChIInChI=1S/C14H13FN2O4/c1-20-10-5-3-9(4-6-10)7-17-8-16-12(14(19)21-2)11(15)13(17)18/h3-6,8H,7H2,1-2H3
InChIKeyMKDMIOIIXNZJOX-UHFFFAOYSA-N
XLogP1.23
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517680
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
methyl 4-[[3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-7-yl]methyl]benzoate
CID 46062054
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
3-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 51064538
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
CID 169233543
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823049
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate?
The IUPAC name of methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate (CID 154942266) is methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate is COC(=O)c1ncn(Cc2ccc(OC)cc2)c(=O)c1F.
What is the InChIKey of methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate?
The InChIKey is MKDMIOIIXNZJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-20-10-5-3-9(4-6-10)7-17-8-16-12(14(19)21-2)11(15)13(17)18/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate?
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 154942266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).